(3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide

C22H27N3O3 — CID 9088747

IUPAC(3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCc1ccc(OCCNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C22H27N3O3/c1-17-9-11-20(12-10-17)28-15-13-23-21(26)18-6-5-14-25(16-18)22(27)24-19-7-3-2-4-8-19/h2-4,7-12,18H,5-6,13-16H2,1H3,(H,23,26)(H,24,27)/t18-/m1/s1
InChIKeyAMJMTXMMHQDOKA-GOSISDBHSA-N
MW381.48 g/mol
LogP3.43
Rot. Bonds6

About (3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide

(3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 9088747) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID9088747
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCc1ccc(OCCNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C22H27N3O3/c1-17-9-11-20(12-10-17)28-15-13-23-21(26)18-6-5-14-25(16-18)22(27)24-19-7-3-2-4-8-19/h2-4,7-12,18H,5-6,13-16H2,1H3,(H,23,26)(H,24,27)/t18-/m1/s1
InChIKeyAMJMTXMMHQDOKA-GOSISDBHSA-N
XLogP3.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8530719
1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 46481032
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119431536
3-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55904439
3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51239700
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119620174
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364
1-N-(4-methoxyphenyl)-3-N-(3-methoxypropyl)piperidine-1,3-dicarboxamide
CID 650630
(3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide
CID 94396027
N-[2-(4-methylphenoxy)ethyl]azepane-1-carboxamide
CID 112970074

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide (CID 9088747) is (3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide is Cc1ccc(OCCNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1.
What is the InChIKey of (3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is AMJMTXMMHQDOKA-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17-9-11-20(12-10-17)28-15-13-23-21(26)18-6-5-14-25(16-18)22(27)24-19-7-3-2-4-8-19/h2-4,7-12,18H,5-6,13-16H2,1H3,(H,23,26)(H,24,27)/t18-/m1/s1.
What are the key properties of (3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
(3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 9088747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).